1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

C11H14N2O3S — CID 70941012

IUPAC1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(O)c1cccs1
InChIInChI=1S/C11H14N2O3S/c12-10(15)7-3-1-5-13(7)11(16)9(14)8-4-2-6-17-8/h2,4,6-7,9,14H,1,3,5H2,(H2,12,15)
InChIKeyPHINYIQPAOTQGO-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.26
Rot. Bonds3

About 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide

1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 70941012) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID70941012
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(O)c1cccs1
InChIInChI=1S/C11H14N2O3S/c12-10(15)7-3-1-5-13(7)11(16)9(14)8-4-2-6-17-8/h2,4,6-7,9,14H,1,3,5H2,(H2,12,15)
InChIKeyPHINYIQPAOTQGO-UHFFFAOYSA-N
XLogP0.26
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
CID 115286566
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115287116
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
(2R)-1-[(3S)-3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 125118766
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide (CID 70941012) is 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)C(O)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is PHINYIQPAOTQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-10(15)7-3-1-5-13(7)11(16)9(14)8-4-2-6-17-8/h2,4,6-7,9,14H,1,3,5H2,(H2,12,15).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide?
1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70941012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).